COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.758  -2.982   1.353  1.00  0.00           C  
HETATM    2  C   UNL     1       3.507   0.898  -1.068  1.00  0.00           C  
HETATM    3  C   UNL     1       4.689   0.030   0.857  1.00  0.00           C  
HETATM    4  C   UNL     1       5.533   1.878  -0.350  1.00  0.00           C  
HETATM    5  C   UNL     1       6.933   4.254  -0.131  1.00  0.00           C  
HETATM    6  C   UNL     1       7.505   3.074   0.307  1.00  0.00           C  
HETATM    7  C   UNL     1       6.806   1.887   0.205  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.459   0.928   1.748  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.462   2.174   2.141  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.450   0.643   0.412  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.011  -1.283  -1.029  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.428  -0.735  -0.113  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.152  -1.064   0.166  1.00  0.00           N  
HETATM   14  C   UNL     1       0.534  -2.083  -0.634  1.00  0.00           C  
HETATM   15  C   UNL     1       1.915  -2.356  -0.037  1.00  0.00           C  
HETATM   16  C   UNL     1       2.681  -3.329  -0.939  1.00  0.00           C  
HETATM   17  C   UNL     1       1.934  -4.665  -0.985  1.00  0.00           C  
HETATM   18  O   UNL     1       1.795  -5.177   0.342  1.00  0.00           O  
HETATM   19  C   UNL     1       1.048  -4.331   1.219  1.00  0.00           C  
HETATM   20  N   UNL     1       2.661  -1.095   0.074  1.00  0.00           N  
HETATM   21  C   UNL     1       2.796  -0.446  -1.238  1.00  0.00           C  
HETATM   22  N   UNL     1       4.824   0.679  -0.455  1.00  0.00           N  
HETATM   23  C   UNL     1       3.978  -1.314   0.687  1.00  0.00           C  
HETATM   24  C   UNL     1       4.964   3.064  -0.795  1.00  0.00           C  
HETATM   25  C   UNL     1       5.666   4.249  -0.685  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.118   0.289   0.692  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.152   1.879   2.477  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.064   1.565   1.139  1.00  0.00           N  
HETATM   29  S   UNL     1      -4.306  -0.143  -0.912  1.00  0.00           S  
HETATM   30  C   UNL     1      -5.912   0.548  -0.691  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.289   1.676  -1.408  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.548   2.215  -1.233  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.433   1.633  -0.344  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.061   0.510   0.372  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.806  -0.038   0.196  1.00  0.00           C  
HETATM   36  H   UNL     1       2.741  -3.131   1.798  1.00  0.00           H  
HETATM   37  H   UNL     1       1.167  -2.320   1.986  1.00  0.00           H  
HETATM   38  H   UNL     1       3.633   1.368  -2.044  1.00  0.00           H  
HETATM   39  H   UNL     1       2.910   1.547  -0.427  1.00  0.00           H  
HETATM   40  H   UNL     1       5.678  -0.133   1.285  1.00  0.00           H  
HETATM   41  H   UNL     1       4.107   0.669   1.521  1.00  0.00           H  
HETATM   42  H   UNL     1       7.481   5.181  -0.050  1.00  0.00           H  
HETATM   43  H   UNL     1       8.499   3.080   0.730  1.00  0.00           H  
HETATM   44  H   UNL     1       7.250   0.967   0.557  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.436   0.682   1.992  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.001   2.916   2.711  1.00  0.00           H  
HETATM   47  H   UNL     1       0.313  -0.628   0.896  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.052  -3.002  -0.631  1.00  0.00           H  
HETATM   49  H   UNL     1       0.645  -1.726  -1.658  1.00  0.00           H  
HETATM   50  H   UNL     1       2.749  -2.915  -1.945  1.00  0.00           H  
HETATM   51  H   UNL     1       3.683  -3.485  -0.539  1.00  0.00           H  
HETATM   52  H   UNL     1       0.947  -4.515  -1.422  1.00  0.00           H  
HETATM   53  H   UNL     1       2.497  -5.375  -1.591  1.00  0.00           H  
HETATM   54  H   UNL     1       0.971  -4.801   2.199  1.00  0.00           H  
HETATM   55  H   UNL     1       0.049  -4.177   0.810  1.00  0.00           H  
HETATM   56  H   UNL     1       1.807  -0.283  -1.666  1.00  0.00           H  
HETATM   57  H   UNL     1       3.379  -1.085  -1.901  1.00  0.00           H  
HETATM   58  H   UNL     1       4.575  -1.963   0.046  1.00  0.00           H  
HETATM   59  H   UNL     1       3.852  -1.784   1.663  1.00  0.00           H  
HETATM   60  H   UNL     1       3.975   3.060  -1.228  1.00  0.00           H  
HETATM   61  H   UNL     1       5.224   5.172  -1.031  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.674   2.387   3.301  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.598   2.132  -2.102  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.842   3.093  -1.790  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.417   2.056  -0.208  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.755   0.058   1.065  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.516  -0.916   0.755  1.00  0.00           H  
CONECT    1   15   19   36   37                                       
CONECT    2   21   22   38   39                                       
CONECT    3   22   23   40   41                                       
CONECT    4   24   22    7    7                                       
CONECT    5   25    6    6   42                                       
CONECT    6    5    5    7   43                                       
CONECT    7    4    4    6   44                                       
CONECT    8   26   26   27   45                                       
CONECT    9   28   27   27   46                                       
CONECT   10   29   28   28   26                                       
CONECT   11   12   12                                                 
CONECT   12   26   11   11   13                                       
CONECT   13   12   14   47                                            
CONECT   14   13   15   48   49                                       
CONECT   15   14   16   20    1                                       
CONECT   16   15   17   50   51                                       
CONECT   17   16   18   52   53                                       
CONECT   18   17   19                                                 
CONECT   19    1   18   54   55                                       
CONECT   20   21   15   23                                            
CONECT   21    2   20   56   57                                       
CONECT   22    2    3    4                                            
CONECT   23   20    3   58   59                                       
CONECT   24   25   25    4   60                                       
CONECT   25   24   24    5   61                                       
CONECT   26   10   12    8    8                                       
CONECT   27    9    9    8   62                                       
CONECT   28   10   10    9                                            
CONECT   29   30   10                                                 
CONECT   30   31   31   35   29                                       
CONECT   31   32   30   30   63                                       
CONECT   32   33   33   31   64                                       
CONECT   33   32   32   34   65                                       
CONECT   34   33   35   35   66                                       
CONECT   35   34   34   30   67                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   27                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
